2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-methyl-2-nitro-benzoate

Systemtic Name: 2-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)ethyl 3-methyl-2-nitro-benzoate Openeye Name: 2-(4-methyl-2-oxo-thiazol-3-yl)ethyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid 2-(4-methyl-2-oxo-3-thiazolyl)ethyl ester IUPAC Name: 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid 2-(2-keto-4-methyl-4-thiazolin-3-yl)ethyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCN2C(=CSC2=O)C

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCCN2C(=CSC2=O)C

InChI

InChI=1S/C14H14N2O5S/c1-9-4-3-5-11(12(9)16(19)20)13(17)21-7-6-15-10(2)8-22-14(15)18/h3-5,8H,6-7H2,1-2H3